ChemSpider 2D Image | (3R)-3-[(1S)-4-Acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide | C28H45ClN4O3

(3R)-3-[(1S)-4-Acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide

  • Molecular FormulaC28H45ClN4O3
  • Average mass521.135 Da
  • Monoisotopic mass520.317993 Da
  • ChemSpider ID24644639

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3r)-3-[(1s)-4-(Acetylamino)-1-(3-Chlorophenyl)-1-Hydroxybutyl]-N-{(1s)-2-Cyclohexyl-1-[(Methylamino)methyl]ethyl}piperidine-1-Carboxamide
(3R)-3-[(1S)-4-Acetamido-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidinecarboxamide [ACD/IUPAC Name]
(3R)-3-[(1S)-4-Acétamido-1-(3-chlorophényl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(méthylamino)-2-propanyl]-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(3R)-3-[(1S)-4-Acetamido-1-(3-chlorphenyl)-1-hydroxybutyl]-N-[(2S)-1-cyclohexyl-3-(methylamino)-2-propanyl]-1-piperidincarboxamid [German] [ACD/IUPAC Name]
1-Piperidinecarboxamide, 3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-[(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl]-, (3R)- [ACD/Index Name]
22X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 760.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 413.7±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.34
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 13.73
Polar Surface Area: 94 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 455.9±3.0 cm3

Click to predict properties on the Chemicalize site


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